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HW 2

This document contains plots of bonding energy (Ea, Er, En) versus interatomic separation for an unknown diatomic molecule. The plots show that at an interatomic separation of 0.24nm, the bonding energy is at a minimum of -4.58eV. It also provides the electronegativity values for elements Ga, P, Cs, F, Fe and O and uses those values to calculate the percentage ionic character of bonds in GaP (6.06%), CsF (93.4%) and FeO (51.4%).

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0% found this document useful (0 votes)
35 views2 pages

HW 2

This document contains plots of bonding energy (Ea, Er, En) versus interatomic separation for an unknown diatomic molecule. The plots show that at an interatomic separation of 0.24nm, the bonding energy is at a minimum of -4.58eV. It also provides the electronegativity values for elements Ga, P, Cs, F, Fe and O and uses those values to calculate the percentage ionic character of bonds in GaP (6.06%), CsF (93.4%) and FeO (51.4%).

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DubistWhite
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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R

0
0.1
0.2
0.3
0.4

Ea

Er

-14.36
-7.18
-4.79
-3.59

732
2.86
0.113
0.0113

0.5

-2.87

0.6

-2.39

0.7

-2.05

0.8

-1.8

0.9
1

-1.6
-1.436

En

717.64
-4.32
-4.677
-3.5787
0.00187 2.86813
0.000436 2.38956
0.000127 2.04987
0.0000436 1.79996
0.000017 1.59998
7.32E-14
-1.436

(A.)
4
B
o
n
d
i
n
g
e
n
e
r
g
y

2
0
0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1.1

-2
Ea

Er

En

-4
-6
-8
interatomic seperation, nm

(b) From this plot Ro =

0.24nm

E0 = -4.58eV,

Question 2: Compute the percentage ionic character of the interatomic bond for each of the following
compounds: GaP, CsF, and FeO.
The percent ionic character is a function of the electron negativities of the ions XA and XB according to
Equation 2.10.The electro negativities of the elements are found in Figure 2.7.

For GaP XGa = 1.6XP = 2.1 %IC = [1 e ((-0.25) (2.1-1.6)2)]*100] = 6.06%


For CsF Xcs = 0.7 XF = 4.0
%IC = [1 e ((-0.25) (4.0-0.7)2)]*100] = 93.4%
For FeO XFe = 1.8 XO = 3.5
%IC = [1 e ((-0.25) (3.5-1.8)2)]*100] = 51.4%

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